Molecular dynamics of stage 3 cesium intercalated graphite C36Cs |
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| Authors: | P. A. Wielopolski J. W. White |
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| Affiliation: | (1) Research School of Chemistry, The Australian National University, 2601 Canberra, Australia |
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| Abstract: | Stage 3 casium intercalated graphite is simulated. The dependence of the structural properties of the simulated system on the barrier height of the graphite periodic potential is shown. The periodic component of the radial distribution function g(r) due to the substrate modulation potential is clearly visible. It appears as a result of the delicate balance between the in-plane cesium-cesium interactions and the substrate modulation potential. |
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| Keywords: | cesium computer simulations intercalation molecular dynamics radial distribution function |
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